Geometry & MOs

Info

ID:	80317
PubChem CID:	49834031
Reduced:	FO4N5C22H24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	441.181232
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	2.82
IP(EA), eV:	-9.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(4-carbamoyl-2-fluorophenoxy)methyl]-5-cyanopyrazol-1-yl]-2-(1-methylcyclopropyl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC1)C2CC(CCN2C(=O)O)N3C(=C(C=N3)COC4=CC(=C(C=C4)C(=O)N)F)C#N

DOS

IR

Vibrations